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	hartrees
Energy at 0K	-603.126957
Energy at 298.15K	-603.134366
Nuclear repulsion energy	223.746292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3675	3624	76.62
2	A	3486	3438	17.01
3	A	3480	3432	42.98
4	A	3468	3420	1.84
5	A	3372	3326	6.74
6	A	1644	1622	33.64
7	A	1561	1540	238.38
8	A	1471	1451	177.73
9	A	1415	1395	10.78
10	A	1268	1251	3.19
11	A	1258	1241	148.84
12	A	1146	1131	28.18
13	A	997	983	21.91
14	A	873	861	80.38
15	A	809	797	52.88
16	A	658	649	2.61
17	A	592	584	2.04
18	A	508	501	7.89
19	A	486	480	35.06
20	A	387	381	169.24
21	A	370	365	61.29
22	A	289	285	25.21
23	A	148	146	51.86
24	A	84	82	35.08

Atom	x (Å)	y (Å)	z (Å)
H1	-0.597	-1.687	0.049
N2	-0.863	-0.710	-0.080
S3	1.770	-0.355	0.015
C4	0.177	0.190	-0.017
H5	-1.187	1.715	-0.065
H6	0.528	2.195	-0.043
N7	-0.196	1.490	0.009
H8	-2.601	-0.575	0.925
H9	-2.751	-0.670	-0.730
N10	-2.194	-0.270	0.032

	H1	N2	S3	C4	H5	H6	N7	H8	H9	N10
H1		1.0214	2.7157	2.0312	3.4553	4.0428	3.2024	2.4534	2.5063	2.1349
N2	1.0214		2.6586	1.3770	2.4466	3.2209	2.3003	2.0115	1.9965	1.4055
S3	2.7157	2.6586		1.6835	3.6111	2.8370	2.6963	4.4698	4.5923	3.9646
C4	2.0312	1.3770	1.6835		2.0477	2.0358	1.3530	3.0314	3.1340	2.4160
H5	3.4553	2.4466	3.6111	2.0477		1.7817	1.0195	2.8677	2.9284	2.2284
H6	4.0428	3.2209	2.8370	2.0358	1.7817		1.0122	4.2896	4.4082	3.6734
N7	3.2024	2.3003	2.6963	1.3530	1.0195	1.0122		3.2991	3.4262	2.6628
H8	2.4534	2.0115	4.4698	3.0314	2.8677	4.2896	3.2991		1.6642	1.0271
H9	2.5063	1.9965	4.5923	3.1340	2.9284	4.4082	3.4262	1.6642		1.0250
N10	2.1349	1.4055	3.9646	2.4160	2.2284	3.6734	2.6628	1.0271	1.0250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	N2	C4	114.953	H1	N2	N10	122.413
N2	C4	S3	120.288	N2	C4	N7	114.829
N2	N10	H8	110.596	N2	N10	H9	109.462
S3	C4	N7	124.882	C4	N2	N10	120.515
C4	N7	H5	118.653	C4	N7	H6	118.087
H5	N7	H6	122.551	H8	N10	H9	108.378

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	H	0.279
2	N	-0.383
3	S	-0.310
4	C	0.313
5	H	0.284
6	H	0.295
7	N	-0.561
8	H	0.275
9	H	0.279
10	N	-0.472

	x	y	z	Total
	-5.892	0.431	0.155	5.909
CHELPG
AIM
ESP

	x	y	z
x	11.609	-0.590	0.033
y	-0.590	7.325	-0.013
z	0.033	-0.013	4.017

<r²>	162.316
(<r²>)^1/2	12.740

All results from a given calculation for CH5N3S (Hydrazinecarbothioamide)

using model chemistry: PBEPBE/6-31G**

States and conformations

All results from a given calculation for CH₅N₃S (Hydrazinecarbothioamide)